1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea

C13H16N4OS — CID 110397891

IUPAC1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea
SMILESCNc1nc(CCNC(=O)Nc2ccccc2)cs1
InChIInChI=1S/C13H16N4OS/c1-14-13-17-11(9-19-13)7-8-15-12(18)16-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyVMAMUAYOPRLNJL-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.55
Rot. Bonds5

About 1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea

1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea (PubChem CID 110397891) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea
PubChem CID110397891
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea
SMILESCNc1nc(CCNC(=O)Nc2ccccc2)cs1
InChIInChI=1S/C13H16N4OS/c1-14-13-17-11(9-19-13)7-8-15-12(18)16-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyVMAMUAYOPRLNJL-UHFFFAOYSA-N
XLogP2.55
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea
CID 110397912
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2,2-diphenylacetamide
CID 110397867
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide
CID 110397871
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 110397880
1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea
CID 59225705
2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide
CID 18567678
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 110397975
3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110397866
1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110350705
3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide
CID 110397933
hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 156706883
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 18567492

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea (CID 110397891) is 1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea is CNc1nc(CCNC(=O)Nc2ccccc2)cs1.
What is the InChIKey of 1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea?
The InChIKey is VMAMUAYOPRLNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-14-13-17-11(9-19-13)7-8-15-12(18)16-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of 1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea?
1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea has a molecular weight of 276.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea is sourced from PubChem (CID 110397891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).